SCHEMBL25837371

SCHEMBL25837371

COc1cc2c(O)cc(C(=O)O)c(-c3ccc(Br)cc3)c2cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
WDR5 P61964 1/20 0.41
CFD P00746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SLC2A1 P11166 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL163789 0.88 SLC6A3 (0.45) KDM4EALDH1A1HSD17B10SMN1; SMN2SLC2A1
SCHEMBL1010666 0.88 ACMSD (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2018471 0.87 FABP3 (0.47) LCKFYNKDM4EALDH1A1HPGD
SCHEMBL6818270 0.86 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25876675 0.84 AKR1C3 (0.48) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25837383 0.78 CTSV (0.48) HPGDSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL15765703 0.78 SMN1; SMN2 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL15763614 0.78 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL30128969 0.77 DHODH (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL1334120 0.77 DHODH (0.46) KDM4EALDH1A1HPGDHSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136213-A1 PHOTOCHROMIC COMPOUND, NAPHTHOL DERIVATIVE, CURABLE COMPOSITION, OPTICAL ARTICLE, LENS, AND EYEGLASSES 株式会社トクヤマ 2023-07-20 WO disclosed